Chemical ID: 7422596

c1cc(ccc1N2CCN(CC2)Cc3cc(=O)oc4c3cc(cc4)Cl)F
Chemical ID:
7422596
Name [?]:
6-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]chromen-2-one
SMILES [?]:
c1cc(ccc1N2CCN(CC2)Cc3cc(=O)oc4c3cc(cc4)Cl)F
InChi [?]:
InChI=1/C20H18ClFN2O2/c21-15-1-6-19-18(12-15)14(11-20(25)26-19)13-23-7-9-24(10-8-23)17-4-2-16(22)3-5-17/h1-6,11-12H,7-10,13H2
InChi Info:
AuxInfo=1/0/N:23,2,4,1,5,24,9,11,8,12,15,21,13,14,22,3,6,20,19,16,25,26,10,7,17,18/E:(2,3)(4,5)(7,8)(9,10)/rA:26nCCCCCCNCCNCCCCCCOOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s10;s13;d14;s15;d16;s16;s18;s14s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClFN2O2
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.84334
Area:558.594
Solvation:-4.12152
Coulombic:-34.2433
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:372.82
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):4.61

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